General Information of the Compound
| Compound ID |
CP0565107
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| Compound Name |
1-[[2-butoxy-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
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| Formula |
C21H21F3N4O3
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| Molecular Weight |
434.418
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| Canonical SMILES |
CCCCOc1nc(ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N4O3/c1-2-3-11-31-19-13(7-9-17(28-19)21(22,23)24)12-25-20(30)27-16-6-4-5-15-14(16)8-10-18(29)26-15/h4-10H,2-3,11-12H2,1H3,(H,26,29)(H2,25,27,30)
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| InChIKey |
KKKDYCFGYYEELB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound